4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H16ClFN4O
Molecular Weight	394.829
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-

Structure Search

SMILES

NC1=CC2=C(NC3=CC=C(OCC4=CC=CC(F)=C4)C(Cl)=C3)N=CN=C2C=C1

InChI

InChIKey=FBSYJUVNGAMMOK-UHFFFAOYSA-N

InChI=1S/C21H16ClFN4O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11,24H2,(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula	C21H16ClFN4O
Molecular Weight	394.829
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:30:25 GMT 2025` Edited by `admin` on `Wed Apr 02 08:30:25 GMT 2025`
Record UNII	9XRF7KN4QK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-

Systematic Name

English

ALLITINIB METABOLITE M6

Preferred Name

English

N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-4,6-QUINAZOLINEDIAMINE

Systematic Name

English

N-(3-CHLORO-4-((3-FLUOROBENZYL)OXY)PHENYL)QUINAZOLINE-4,6-DIAMINE

Systematic Name

English

4-((3-CHLORO-4-((3-FLUOROBENZYL)OXY)PHENYL)AMINO)-6-AMINOQUINAZOLINE

Systematic Name

English

Code System Code Type Description

PUBCHEM

53630477

Created by admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025

PRIMARY

CAS

845271-71-8

Created by admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025

PRIMARY

EPA CompTox

DTXSID301346050

Created by admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025

PRIMARY

FDA UNII

9XRF7KN4QK

Created by admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025

PRIMARY

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Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC	THREE TIMES A DAY ORAL ADMINISTRATION IN CANCER PATIENTS AT DAY 1

Biological Half-life	PHARMACOKINETIC	IN CANCER PATIENTS AT DAY 24 ORAL ADMINISTRATION THREE TIMES A DAY FOR 21 DAYS

Tmax	PHARMACOKINETIC	AT DAY 24 ORAL ADMINISTRATION THREE TIMES A DAY FOR 21 DAYS IN CANCER PATIENTS

Tmax	PHARMACOKINETIC	AT DAY 1 ORAL ADMINISTRATION THREE TIMES A DAY IN CANCER PATIENTS